4-(aminomethyl)-6-(6-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-4H-phthalazin-1-one

C19H17N5O2 — CID 166175935

IUPAC4-(aminomethyl)-6-(6-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-4H-phthalazin-1-one
SMILESNCC1N=NC(=O)c2ccc(-c3cnc4ccc(OC5CC5)cn34)cc21
InChIInChI=1S/C19H17N5O2/c20-8-16-15-7-11(1-5-14(15)19(25)23-22-16)17-9-21-18-6-4-13(10-24(17)18)26-12-2-3-12/h1,4-7,9-10,12,16H,2-3,8,20H2
InChIKeyODTHRSAZDUYRIN-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.15
Rot. Bonds4

About 4-(aminomethyl)-6-(6-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-4H-phthalazin-1-one

4-(aminomethyl)-6-(6-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-4H-phthalazin-1-one (PubChem CID 166175935) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(6-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-4H-phthalazin-1-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-(6-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-4H-phthalazin-1-one
PubChem CID166175935
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name4-(aminomethyl)-6-(6-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-4H-phthalazin-1-one
SMILESNCC1N=NC(=O)c2ccc(-c3cnc4ccc(OC5CC5)cn34)cc21
InChIInChI=1S/C19H17N5O2/c20-8-16-15-7-11(1-5-14(15)19(25)23-22-16)17-9-21-18-6-4-13(10-24(17)18)26-12-2-3-12/h1,4-7,9-10,12,16H,2-3,8,20H2
InChIKeyODTHRSAZDUYRIN-UHFFFAOYSA-N
XLogP3.15
TPSA94.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(6-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-4H-phthalazin-1-one?
The IUPAC name of 4-(aminomethyl)-6-(6-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-4H-phthalazin-1-one (CID 166175935) is 4-(aminomethyl)-6-(6-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-4H-phthalazin-1-one.
What is the SMILES notation for 4-(aminomethyl)-6-(6-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-4H-phthalazin-1-one?
The canonical SMILES for 4-(aminomethyl)-6-(6-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-4H-phthalazin-1-one is NCC1N=NC(=O)c2ccc(-c3cnc4ccc(OC5CC5)cn34)cc21.
What is the InChIKey of 4-(aminomethyl)-6-(6-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-4H-phthalazin-1-one?
The InChIKey is ODTHRSAZDUYRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c20-8-16-15-7-11(1-5-14(15)19(25)23-22-16)17-9-21-18-6-4-13(10-24(17)18)26-12-2-3-12/h1,4-7,9-10,12,16H,2-3,8,20H2.
What are the key properties of 4-(aminomethyl)-6-(6-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-4H-phthalazin-1-one?
4-(aminomethyl)-6-(6-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-4H-phthalazin-1-one has a molecular weight of 347.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(6-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-4H-phthalazin-1-one is sourced from PubChem (CID 166175935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).